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20236-55-9

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Basic Information
CAS No.: 20236-55-9
Name: barium bis(2,4,6-trinitroresorcinolate)
Molecular Structure:
Molecular Structure of 20236-55-9 (barium bis(2,4,6-trinitroresorcinolate))
Formula: C6H3 N3 O8 . 1/2 Ba
Molecular Weight: 715.55264
Synonyms: Resorcinol,2,4,6-trinitro-, barium salt (2:1) (8CI); Barium styphnate
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: An explosive. When heated to decomposition it emits toxic vapors of NOx and fumes of Ba.
PSA: 177.92000
LogP: 2.39200
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Chemistry

Molecular Formula: C12H2Ba2N6O16
Molar mass: 760.8289 g/mol
EINECS: 243-620-9
Product categories of Barium styphnate (20236-55-9): Toxicant
Structure of Barium styphnate (20236-55-9):

Systematic Name: Barium(+2) cation; 2,4,6-trinitrobenzene-1,3-diolate 
SMILES: [Ba+2].[Ba+2].O=[N+]([O-])c1c([O-])c(cc([N+]([O-])=O)c1[O-])[N+]([O-])=O.[O-][N+](=O)c1cc([N+]([O-])=O)c([O-])c([N+]([O-])=O)c1[O-] 
InChI: InChI=1/2C6H3N3O8.2Ba/c2*10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;;/h2*1,10-11H;;/q;;2*+2/p-4 
InChIKey: IYSKAJPMIYQNRE-XBHQNQODAO 
Std. InChI: InChI=1S/2C6H3N3O8.2Ba/c2*10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;;/h2*1,10-11H;;/q;;2*+2/p-4 
Std. InChIKey: IYSKAJPMIYQNRE-UHFFFAOYSA-J

Safety Profile

An explosive. When heated to decomposition it emits toxic vapors of NOx and fumes of Ba.

Standards and Recommendations

DOT Classification:  Explosive 1.1A; Label: Explosive 1.1A

Specification

 Barium styphnate (20236-55-9) is the barium salt of 2,4,6-Trinitroresorcinol , and also can be called Barium bis(2,4,6-trinitroresorcinolate) .It may begin a vigorous reaction that culminates in a detonation if mixed with reducing agents, including hydrides, sulfides and nitrides.Shipped as a slurry or wet mass of orange-yellow crystals. Shock, heat, flame or friction may cause explosion if dried out. The primary hazard is blast of instantaneous explosion and not flying projectiles and fragments.